1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine

C11H13F3N2O2S — CID 2554578

IUPAC1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)9-1-3-10(4-2-9)19(17,18)16-7-5-15-6-8-16/h1-4,15H,5-8H2
InChIKeySQXBFRFABWYXTK-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.30
Rot. Bonds2

About 1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine

1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine (PubChem CID 2554578) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
PubChem CID2554578
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)9-1-3-10(4-2-9)19(17,18)16-7-5-15-6-8-16/h1-4,15H,5-8H2
InChIKeySQXBFRFABWYXTK-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-(para-tolylsulfonyl)-piperazine
CID 269717
1-(Benzenesulfonyl)piperazine
CID 808712
1-(4-Fluorobenzenesulfonyl)piperazine
CID 2063342
Piperazine, 1-((2,5-dimethylphenyl)sulfonyl)-
CID 2384617
1-(4-Methylbenzenesulfonyl)piperazine
CID 704295
N-(2-Aminoethyl)-4-methylbenzenesulfonamide
CID 301318
N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 2738507
1-(5,6,7,8-Tetrahydronaphthalene-2-sulfonyl)piperazine
CID 2546175
1-(2-Phenylethenesulfonyl)piperazine
CID 5893769
p-Toluenesulfonamide, N-(2-dimethylaminoethyl)-
CID 101480
1-[3-(Trifluoromethyl)benzenesulfonyl]piperazine
CID 2305612
1-Phenylmethanesulfonylpiperazine
CID 2512733

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine (CID 2554578) is 1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine is O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCNCC1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine?
The InChIKey is SQXBFRFABWYXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c12-11(13,14)9-1-3-10(4-2-9)19(17,18)16-7-5-15-6-8-16/h1-4,15H,5-8H2.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine?
1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine has a molecular weight of 294.30 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 2554578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).